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LT6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C21F1sing1.35Å1.32Å
C4N1sing1.46Å1.48Å
N1C23sing1.35Å1.41Å
N1C5sing1.46Å1.47Å
O1C14sing1.43Å1.44Å
O1HO1sing0.97Å0.95Å
C2C3sing1.53Å1.54Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C15N2sing1.35Å1.39Å
N2C13sing1.46Å1.46Å
N2HN2sing0.97Å1.00Å
O2C15doub1.21Å1.23Å
C3C4sing1.53Å1.54Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C16O3sing1.43Å1.42Å
O3C17sing1.36Å1.38Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C23O4doub1.22Å1.25Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C7C6doub1.38Å1.39ÅAromatic
C6C11sing1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C8C7sing1.38Å1.39ÅAromatic
C7H7sing1.08Å1.08Å
C8C9doub1.38Å1.41ÅAromatic
C8H8sing1.08Å1.08Å
C12C9sing1.51Å1.53Å
C9C10sing1.38Å1.40ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C13C12sing1.53Å1.55Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13C14sing1.53Å1.54Å
C13H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C16C15sing1.51Å1.53Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18C17doub1.39Å1.42ÅAromatic
C17C22sing1.40Å1.40ÅAromatic
C18C19sing1.38Å1.41ÅAromatic
C18H18sing1.08Å1.08Å
C19C20doub1.38Å1.40ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.38Å1.40ÅAromatic
C20H20sing1.08Å1.08Å
C22C21doub1.40Å1.40ÅAromatic
C22C23sing1.47Å1.50Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.4°109.5°
C1C2C3113.7°109.5°
C1C2H2108.1°109.5°
C1C2H2A108.1°109.5°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.5°
H1AC1H1B109.5°109.5°
F1C21C20118.3°120.1°
F1C21C22120.2°120.1°
C4N1C23121.8°120.0°
C4N1C5116.6°120.0°
N1C4C3111.0°109.5°
N1C4H4109.0°109.5°
N1C4H4A109.0°109.5°
C23N1C5121.6°120.0°
N1C23O4121.4°120.0°
N1C23C22122.9°120.0°
N1C5H5109.5°109.5°
N1C5H5A109.4°109.4°
N1C5H5B109.5°109.5°
C14O1HO1109.5°113.9°
O1C14C13110.9°109.4°
O1C14H14109.0°109.5°
O1C14H14A109.0°109.4°
C3C2H2108.1°109.5°
C3C2H2A108.1°109.5°
C2C3C4111.9°109.5°
C2C3H3108.7°109.4°
C2C3H3A108.7°109.5°
H2C2H2A110.8°109.4°
C15N2C13122.8°120.0°
C15N2HN2118.6°119.9°
N2C15O2124.3°120.0°
N2C15C16111.9°120.0°
C13N2HN2118.6°120.0°
N2C13C12111.7°109.5°
N2C13C14108.4°109.5°
N2C13H13109.1°109.5°
O2C15C16123.7°120.0°
C4C3H3108.7°109.5°
C4C3H3A108.7°109.5°
C3C4H4109.0°109.5°
C3C4H4A109.0°109.4°
H3C3H3A110.2°109.5°
C16O3C17122.5°117.0°
O3C16C15106.8°109.5°
O3C16H16110.4°109.5°
O3C16H16A110.4°109.5°
O3C17C18127.4°120.1°
O3C17C22113.8°120.2°
H4C4H4A110.0°109.5°
O4C23C22115.6°120.0°
H5C5H5A109.5°109.4°
H5C5H5B109.5°109.5°
H5AC5H5B109.5°109.5°
C7C6C11120.1°120.0°
C7C6H6120.0°120.0°
C6C7C8119.5°120.0°
C6C7H7120.3°119.9°
C11C6H6119.9°120.0°
C6C11C10120.2°120.0°
C6C11H11119.9°120.0°
C8C7H7120.3°120.0°
C7C8C9121.1°120.0°
C7C8H8119.5°120.0°
C9C8H8119.5°120.0°
C8C9C12120.3°120.0°
C8C9C10118.9°120.0°
C12C9C10120.8°120.0°
C9C12C13112.7°109.5°
C9C12H12108.4°109.4°
C9C12H12A108.4°109.5°
C9C10C11120.3°120.0°
C9C10H10119.9°120.0°
C11C10H10119.9°120.0°
C10C11H11119.9°120.0°
C13C12H12108.4°109.5°
C13C12H12A108.4°109.5°
C12C13C14110.9°109.5°
C12C13H13106.6°109.5°
H12C12H12A110.5°109.5°
C14C13H13110.0°109.4°
C13C14H14109.0°109.5°
C13C14H14A109.0°109.5°
H14C14H14A109.9°109.5°
C15C16H16110.4°109.5°
C15C16H16A110.4°109.5°
H16C16H16A108.6°109.4°
C18C17C22118.8°119.7°
C17C18C19120.5°120.1°
C17C18H18119.8°119.9°
C17C22C21120.3°119.6°
C17C22C23119.5°120.2°
C19C18H18119.8°119.9°
C18C19C20120.1°120.4°
C18C19H19120.0°119.8°
C20C19H19119.9°119.8°
C19C20C21119.0°120.3°
C19C20H20120.5°119.9°
C21C20H20120.5°119.8°
C20C21C22121.4°119.8°
C21C22C23120.2°120.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°120.0°
C1C2C3H2120.0°120.0°
C1C2C3H2A120.0°120.0°
C1C2H2H2A118.3°120.0°
C1C2C3C443.1°180.0°
C1C2C3H3163.1°60.0°
C1C2C3H3A77.0°60.0°
H1C1H1AH1B120.0°120.0°
H1C1C2C3180.0°60.0°
H1C1C2H260.0°180.0°
H1C1C2H2A60.0°60.1°
H1AC1C2C360.0°180.0°
H1AC1C2H260.0°60.0°
H1AC1C2H2A180.0°60.0°
H1BC1C2C360.0°60.0°
H1BC1C2H2180.0°60.0°
H1BC1C2H2A60.0°180.0°
F1C21C22C17179.4°179.6°
F1C21C20C19179.8°179.9°
F1C21C20C22179.7°179.9°
F1C21C20H200.2°0.1°
F1C21C22C231.9°0.1°
C4N1C23C5179.5°180.0°
N1C4C3C292.0°180.0°
N1C4C3H4120.0°120.1°
N1C4C3H4A120.0°120.0°
N1C4C3H327.9°60.0°
N1C4C3H3A148.0°60.0°
N1C4H4H4A119.4°120.0°
C4N1C23O4177.8°0.0°
C4N1C5H5180.0°90.0°
C4N1C5H5A60.0°30.0°
C4N1C5H5B60.0°149.9°
C4N1C23C221.3°180.0°
C23N1C4C3111.8°90.0°
C23N1C4H48.2°150.0°
C23N1C4H4A128.2°30.0°
N1C23O4C22179.2°180.0°
C23N1C5H50.5°90.1°
C23N1C5H5A119.5°150.0°
C23N1C5H5B120.5°30.0°
N1C23C22C17111.6°90.0°
N1C23C22C2169.6°90.3°
C5N1C4C367.7°90.0°
C5N1C4H4172.3°30.0°
C5N1C4H4A52.3°150.0°
C5N1C23O41.6°180.0°
N1C5H5H5A120.0°119.9°
N1C5H5H5B120.0°120.1°
N1C5H5AH5B120.0°120.0°
C5N1C23C22179.3°0.0°
O1C14C13N256.0°65.0°
O1C14C13C12179.0°55.1°
O1C14C13H14120.0°120.0°
O1C14C13H14A120.0°119.9°
O1C14C13H1363.2°175.0°
O1C14H14H14A119.4°120.0°
HO1O1C14C13180.0°180.0°
HO1O1C14H1460.0°60.0°
HO1O1C14H14A60.0°60.1°
C3C2H2H2A118.2°120.0°
C2C3C4H3120.0°120.0°
C2C3C4H3A120.0°120.0°
C2C3H3H3A119.0°119.9°
C2C3C4H428.0°59.9°
C2C3C4H4A148.0°60.0°
H2C2C3C477.0°60.0°
H2C2C3H343.0°180.0°
H2C2C3H3A163.0°60.0°
H2AC2C3C4163.1°60.0°
H2AC2C3H376.9°60.0°
H2AC2C3H3A43.1°180.0°
C15N2C13HN2180.0°179.9°
N2C15O2C16179.6°180.0°
N2C15C16O31.3°180.0°
C15N2C13C12127.7°155.0°
C15N2C13C14109.8°84.9°
C15N2C13H1310.1°35.0°
N2C15C16H16118.6°60.0°
N2C15C16H16A121.4°60.0°
C13N2C15O22.6°0.0°
N2C13C12C9171.4°65.0°
N2C13C12C14121.1°120.0°
N2C13C12H13119.1°120.0°
N2C13C12H1251.4°175.0°
N2C13C12H12A68.6°55.0°
N2C13C14H13119.3°120.0°
N2C13C14H1464.0°175.0°
N2C13C14H14A176.1°55.0°
C13N2C15C16177.1°180.0°
HN2N2C15O2177.5°180.0°
HN2N2C13C1252.3°25.0°
HN2N2C13C1470.2°95.0°
HN2N2C13H13170.0°145.1°
HN2N2C15C162.9°0.1°
O2C15C16O3179.0°0.0°
O2C15C16H1661.0°120.0°
O2C15C16H16A59.0°120.0°
C4C3H3H3A119.1°120.0°
C3C4H4H4A119.4°119.9°
H3C3C4H4148.0°60.0°
H3C3C4H4A92.0°180.0°
H3AC3C4H492.0°180.0°
H3AC3C4H4A28.0°60.0°
O3C16C15H16120.0°120.0°
O3C16C15H16A120.0°120.0°
O3C16H16H16A121.1°119.9°
C16O3C17C1812.9°0.3°
C16O3C17C22168.2°180.0°
C17O3C16C15131.0°180.0°
C17O3C16H1611.1°60.0°
C17O3C16H16A108.9°60.0°
O3C17C18C22178.8°179.7°
O3C17C18C19179.9°180.0°
O3C17C18H180.1°0.0°
O3C17C22C21178.9°179.7°
O3C17C22C232.4°0.0°
O4C23C22C1767.5°90.0°
O4C23C22C21111.2°89.7°
H5C5H5AH5B120.0°120.0°
C7C6C11H6180.0°179.7°
C6C7C8H7180.0°179.9°
C6C7C8C90.4°0.1°
C6C7C8H8179.6°179.9°
C7C6C11C100.8°0.0°
C7C6C11H11179.2°179.7°
C11C6C7C80.2°0.1°
C11C6C7H7179.7°180.0°
C6C11C10C90.8°0.0°
C6C11C10H11180.0°179.7°
C6C11C10H10179.2°180.0°
H6C6C7C8179.8°179.8°
H6C6C7H70.2°0.4°
H6C6C11C10179.2°179.7°
H6C6C11H110.8°0.0°
C7C8C9H8180.0°179.9°
C7C8C9C12179.9°179.9°
C7C8C9C100.4°0.1°
H7C7C8C9179.6°180.0°
H7C7C8H80.4°0.1°
C8C9C12C10179.4°179.9°
C8C9C10C110.1°0.1°
C8C9C10H10179.9°180.0°
C8C9C12C1366.5°90.0°
C8C9C12H12173.5°150.0°
C8C9C12H12A53.5°30.0°
H8C8C9C120.1°0.0°
H8C8C9C10179.5°179.9°
C12C9C10C11179.3°180.0°
C12C9C10H100.7°0.1°
C9C12C13H12120.0°120.0°
C9C12C13H12A120.0°120.0°
C9C12H12H12A118.7°120.0°
C9C12C13C1450.4°175.0°
C9C12C13H1369.4°55.0°
C9C10C11H10180.0°179.9°
C9C10C11H11179.2°179.7°
C10C9C12C13114.1°90.1°
C10C9C12H125.9°30.0°
C10C9C12H12A125.9°149.9°
H10C10C11H110.8°0.2°
C13C12H12H12A118.7°120.1°
C12C13C14H13117.7°120.0°
C12C13C14H1459.0°65.0°
C12C13C14H14A60.9°175.0°
H12C12C13C1469.6°55.0°
H12C12C13H13170.6°65.0°
H12AC12C13C14170.4°65.0°
H12AC12C13H1350.6°175.0°
C13C14H14H14A119.4°120.0°
H13C13C14H14176.8°55.0°
H13C13C14H14A56.8°65.0°
C15C16H16H16A121.1°120.0°
C17C18C19H18180.0°180.0°
C17C18C19C201.5°0.0°
C17C18C19H19178.5°180.0°
C18C17C22C210.1°0.5°
C18C17C22C23178.7°179.8°
C22C17C18C191.1°0.3°
C22C17C18H18178.9°179.7°
C17C22C21C200.9°0.5°
C17C22C21C23178.8°179.7°
C18C19C20H19180.0°180.0°
C18C19C20C210.7°0.1°
C18C19C20H20179.3°180.0°
H18C18C19C20178.5°180.0°
H18C18C19H191.5°0.0°
C19C20C21H20180.0°180.0°
C19C20C21C220.5°0.2°
H19C19C20C21179.3°179.9°
H19C19C20H200.7°0.0°
C20C21C22C23177.8°179.8°
H20C20C21C22179.5°179.8°

222415

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